3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline

C264H397N27OS2 — CID 159097607

About 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline

3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline (PubChem CID 159097607) has the molecular formula C264H397N27OS2 and a molecular weight of 4029.40 g/mol. Its IUPAC name is 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline.

Molecular Properties

• Compound Name: 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline
• PubChem CID: 159097607
• Molecular Formula: C264H397N27OS2
• Molecular Weight: 4029.40 g/mol
• Exact Mass: 4026.13
• IUPAC Name: 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline
• SMILES: C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1c[nH]c2ccncc12.CC(C)(C)c1cc2[nH]ccc2s1.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1onc2ccccc12.CC1=Nc2ccccc2C1.Cc1nc2ccccn2c1C(C)(C)C.Cc1nc2sccn2c1C(C)(C)C.Cn1ccc2c(C(C)(C)C)ccnc21.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccn2cccc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1ccn2nccc2c1
• InChI: InChI=1S/2C12H16N2.2C11H14N2.C11H13NO.C10H13N3.C10H14N2S.C10H13NS.C9H9N.2C9H7N.3C9H8.3C8H7N.3C7H6N2.12C5H12.9C2H6/c1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-10(2,3)9-6-7-8(12-9)4-5-11-7;1-7-6-8-4-2-3-5-9(8)10-7;2*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-5-9-7-3-6-8(9)4-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;12*1-5(2,3)4;9*1-2/h2*5-8H,1-4H3;4-7,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;4-6,11H,1-3H3;2-5H,6H2,1H3;2*1-7H;3*1-6H,7H2;1-7H;1-5H,6H2;1-4,6H,5H2;3*1-6H;12*1-4H3;9*1-2H3
• InChIKey: KCWFFCBRICPMLW-UHFFFAOYSA-N
• XLogP: 79.93
• TPSA: 289.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4029.40
LogP ≤ 5	79.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline?

The IUPAC name of 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline (CID 159097607) is 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline.

What is the SMILES notation for 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline?

The canonical SMILES for 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline is C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1c[nH]c2ccncc12.CC(C)(C)c1cc2[nH]ccc2s1.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1onc2ccccc12.CC1=Nc2ccccc2C1.Cc1nc2ccccn2c1C(C)(C)C.Cc1nc2sccn2c1C(C)(C)C.Cn1ccc2c(C(C)(C)C)ccnc21.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccn2cccc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1ccn2nccc2c1.

What is the InChIKey of 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline?

The InChIKey is KCWFFCBRICPMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16N2.2C11H14N2.C11H13NO.C10H13N3.C10H14N2S.C10H13NS.C9H9N.2C9H7N.3C9H8.3C8H7N.3C7H6N2.12C5H12.9C2H6/c1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-10(2,3)9-6-7-8(12-9)4-5-11-7;1-7-6-8-4-2-3-5-9(8)10-7;2*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-5-9-7-3-6-8(9)4-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;12*1-5(2,3)4;9*1-2/h2*5-8H,1-4H3;4-7,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;4-6,11H,1-3H3;2-5H,6H2,1H3;2*1-7H;3*1-6H,7H2;1-7H;1-5H,6H2;1-4,6H,5H2;3*1-6H;12*1-4H3;9*1-2H3.

What are the key properties of 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline?

3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline has a molecular weight of 4029.40 g/mol, XLogP of 79.93, 0 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;dodecakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine);quinoline is sourced from PubChem (CID 159097607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).